2,2-difluoroethyl-[2-fluoroethyl(oxido)sulfonio]-oxidosulfanium

C4H7F3O2S2 — CID 175364453

IUPAC2,2-difluoroethyl-[2-fluoroethyl(oxido)sulfonio]-oxidosulfanium
SMILES[O-][S+](CCF)[S+]([O-])CC(F)F
InChIInChI=1S/C4H7F3O2S2/c5-1-2-10(8)11(9)3-4(6)7/h4H,1-3H2
InChIKeyWQHAEUBQKIAICD-UHFFFAOYSA-N
MW208.23 g/mol
LogP0.63
Rot. Bonds5

About 2,2-difluoroethyl-[2-fluoroethyl(oxido)sulfonio]-oxidosulfanium

2,2-difluoroethyl-[2-fluoroethyl(oxido)sulfonio]-oxidosulfanium (PubChem CID 175364453) has the molecular formula C4H7F3O2S2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 2,2-difluoroethyl-[2-fluoroethyl(oxido)sulfonio]-oxidosulfanium.

Molecular Properties

Compound Name2,2-difluoroethyl-[2-fluoroethyl(oxido)sulfonio]-oxidosulfanium
PubChem CID175364453
Molecular FormulaC4H7F3O2S2
Molecular Weight208.23 g/mol
Exact Mass207.98
IUPAC Name2,2-difluoroethyl-[2-fluoroethyl(oxido)sulfonio]-oxidosulfanium
SMILES[O-][S+](CCF)[S+]([O-])CC(F)F
InChIInChI=1S/C4H7F3O2S2/c5-1-2-10(8)11(9)3-4(6)7/h4H,1-3H2
InChIKeyWQHAEUBQKIAICD-UHFFFAOYSA-N
XLogP0.63
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoroethyl-[2-fluoroethyl(oxido)sulfonio]-oxidosulfanium?
The IUPAC name of 2,2-difluoroethyl-[2-fluoroethyl(oxido)sulfonio]-oxidosulfanium (CID 175364453) is 2,2-difluoroethyl-[2-fluoroethyl(oxido)sulfonio]-oxidosulfanium.
What is the SMILES notation for 2,2-difluoroethyl-[2-fluoroethyl(oxido)sulfonio]-oxidosulfanium?
The canonical SMILES for 2,2-difluoroethyl-[2-fluoroethyl(oxido)sulfonio]-oxidosulfanium is [O-][S+](CCF)[S+]([O-])CC(F)F.
What is the InChIKey of 2,2-difluoroethyl-[2-fluoroethyl(oxido)sulfonio]-oxidosulfanium?
The InChIKey is WQHAEUBQKIAICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3O2S2/c5-1-2-10(8)11(9)3-4(6)7/h4H,1-3H2.
What are the key properties of 2,2-difluoroethyl-[2-fluoroethyl(oxido)sulfonio]-oxidosulfanium?
2,2-difluoroethyl-[2-fluoroethyl(oxido)sulfonio]-oxidosulfanium has a molecular weight of 208.23 g/mol, XLogP of 0.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroethyl-[2-fluoroethyl(oxido)sulfonio]-oxidosulfanium is sourced from PubChem (CID 175364453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).